Research workbench
Crystal structure of SP1951 protein from streptococcus pneumoniae in complex with FMN, northeast structural genomics target SPR27
Analyse Crystal structure of SP1951 protein from streptococcus pneumoniae in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OYS
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein SP1951
- UniProt
- Q97NR6
- Ligands
- FMN
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein SP1951 | protein | 230 | 48% helix, 15% strand | Q97NR6 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.82 | 0.83 | 108 | FMN, EDO |
| 2 | 61 | 0.41 | 0.81 | 18 | empty |
| 3 | 59 | 0.27 | 0.73 | 11 | empty |
| 4 | 51 | 0.26 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1185 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2OYS · Crystal Structure of SP1951 protein from Streptococcus pneumoniae in complex with FMN… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q97NR6
- Elsewhere: RCSB PDB 2OYS · PDBe 2OYS · UniProt Q97NR6
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